2-amino-N-butan-2-yl-N-methylquinoline-4-carboxamide

C15H19N3O — CID 62154754

IUPAC2-amino-N-butan-2-yl-N-methylquinoline-4-carboxamide
SMILESCCC(C)N(C)C(=O)c1cc(N)nc2ccccc12
InChIInChI=1S/C15H19N3O/c1-4-10(2)18(3)15(19)12-9-14(16)17-13-8-6-5-7-11(12)13/h5-10H,4H2,1-3H3,(H2,16,17)
InChIKeyXJSFMXOTJBGJKJ-UHFFFAOYSA-N
MW257.34 g/mol
LogP2.69
Rot. Bonds3

About 2-amino-N-butan-2-yl-N-methylquinoline-4-carboxamide

2-amino-N-butan-2-yl-N-methylquinoline-4-carboxamide (PubChem CID 62154754) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is 2-amino-N-butan-2-yl-N-methylquinoline-4-carboxamide.

Molecular Properties

Compound Name2-amino-N-butan-2-yl-N-methylquinoline-4-carboxamide
PubChem CID62154754
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name2-amino-N-butan-2-yl-N-methylquinoline-4-carboxamide
SMILESCCC(C)N(C)C(=O)c1cc(N)nc2ccccc12
InChIInChI=1S/C15H19N3O/c1-4-10(2)18(3)15(19)12-9-14(16)17-13-8-6-5-7-11(12)13/h5-10H,4H2,1-3H3,(H2,16,17)
InChIKeyXJSFMXOTJBGJKJ-UHFFFAOYSA-N
XLogP2.69
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-(3,3-dimethylbutan-2-yl)-N-methylquinoline-4-carboxamide
CID 62160861
2-amino-N-ethyl-N-methylquinoline-4-carboxamide
CID 62154590
2-amino-N-ethyl-N-propan-2-ylquinoline-4-carboxamide
CID 62154240
2-amino-N,N-diethylquinoline-4-carboxamide
CID 62155871
2-amino-N-methyl-N-(3-methylbutyl)quinoline-4-carboxamide
CID 62185839
2-amino-N-methyl-N-phenylquinoline-4-carboxamide
CID 62155545
2-amino-N-methyl-N-(2-methylbutan-2-yl)quinoline-4-carboxamide
CID 63961651
2-amino-N-[2-(dimethylamino)ethyl]-N-methylquinoline-4-carboxamide
CID 63727745
2-chloro-N-(1-hydroxypropan-2-yl)-N-methylquinoline-4-carboxamide
CID 104551638
2-amino-N-cyclopropyl-N-methylquinoline-4-carboxamide
CID 62156130
2-amino-N-[2-[methyl(propan-2-yl)amino]ethyl]quinoline-4-carboxamide
CID 62640770
2-amino-N-(4-methylpentyl)quinoline-4-carboxamide
CID 63002970

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-butan-2-yl-N-methylquinoline-4-carboxamide?
The IUPAC name of 2-amino-N-butan-2-yl-N-methylquinoline-4-carboxamide (CID 62154754) is 2-amino-N-butan-2-yl-N-methylquinoline-4-carboxamide.
What is the SMILES notation for 2-amino-N-butan-2-yl-N-methylquinoline-4-carboxamide?
The canonical SMILES for 2-amino-N-butan-2-yl-N-methylquinoline-4-carboxamide is CCC(C)N(C)C(=O)c1cc(N)nc2ccccc12.
What is the InChIKey of 2-amino-N-butan-2-yl-N-methylquinoline-4-carboxamide?
The InChIKey is XJSFMXOTJBGJKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-4-10(2)18(3)15(19)12-9-14(16)17-13-8-6-5-7-11(12)13/h5-10H,4H2,1-3H3,(H2,16,17).
What are the key properties of 2-amino-N-butan-2-yl-N-methylquinoline-4-carboxamide?
2-amino-N-butan-2-yl-N-methylquinoline-4-carboxamide has a molecular weight of 257.34 g/mol, XLogP of 2.69, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-butan-2-yl-N-methylquinoline-4-carboxamide is sourced from PubChem (CID 62154754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).